Geometry & MOs

Info

ID:	83273
PubChem CID:	49857381
Reduced:	SO5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	401.193381
ΔH_f, kcal/mol:	-165.98
Dipole, Da:	6.07
IP(EA), eV:	-9.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-deuterio-1,3-thiazol-4-yl)-N-[2,3,5,6-tetradeuterio-4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C(=CC=C2)C(O)S(=O)(=O)O

DOS

IR

Vibrations